General Information of the Compound
| Compound ID |
CP0471705
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| Compound Name |
1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
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| Structure |
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| Formula |
C32H28Cl2N6O
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| Molecular Weight |
583.523
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| Canonical SMILES |
CNC(c1cncn1C)(c1ccc(Cl)cc1)c1ccc2nc(OC)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
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| InChI |
InChI=1S/C32H28Cl2N6O/c1-35-32(29-19-36-20-39(29)2,22-7-10-24(33)11-8-22)23-9-14-28-26(18-23)30(34)27(31(38-28)41-3)17-21-5-12-25(13-6-21)40-16-4-15-37-40/h4-16,18-20,35H,17H2,1-3H3
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| InChIKey |
ORYZEGHIEGWWPP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound